5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine

C15H20N2OS — CID 80739715

IUPAC5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC(CC)c2cccs2)c1
InChIInChI=1S/C15H20N2OS/c1-3-14(15-6-5-7-19-15)17-12-8-11(16)9-13(10-12)18-4-2/h5-10,14,17H,3-4,16H2,1-2H3
InChIKeyRFOMDEVQQDMTIV-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.29
Rot. Bonds6

About 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine

5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine (PubChem CID 80739715) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
PubChem CID80739715
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC(CC)c2cccs2)c1
InChIInChI=1S/C15H20N2OS/c1-3-14(15-6-5-7-19-15)17-12-8-11(16)9-13(10-12)18-4-2/h5-10,14,17H,3-4,16H2,1-2H3
InChIKeyRFOMDEVQQDMTIV-UHFFFAOYSA-N
XLogP4.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-5-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 80731660
5-ethoxy-3-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,3-diamine
CID 80735659
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
CID 114176141
2-[4-(1-thiophen-2-ylpropylamino)phenoxy]acetonitrile
CID 43203333
4-ethoxy-2-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 60781040
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
CID 80736004
1-[2-amino-5-(1-thiophen-2-ylpropylamino)phenyl]ethanone
CID 104612544
3,5-diethoxyaniline
CID 22605063

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine (CID 80739715) is 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine is CCOc1cc(N)cc(NC(CC)c2cccs2)c1.
What is the InChIKey of 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
The InChIKey is RFOMDEVQQDMTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-14(15-6-5-7-19-15)17-12-8-11(16)9-13(10-12)18-4-2/h5-10,14,17H,3-4,16H2,1-2H3.
What are the key properties of 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine?
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine has a molecular weight of 276.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 80739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).